SCHEMBL4123658

SCHEMBL4123658

CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.35
RIPK1 Q13546 1/20 0.35
NAMPT P43490 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
PTGER2 P43116 4/20 0.33
MDM2 Q00987 2/20 0.33
HTT P42858 2/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
NOTUM Q6P988 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4130995 0.91 NAMPT (0.36) TAS2R14NAMPTPTGER2
SCHEMBL4126098 0.91 NAMPT (0.39) NAMPTKEAP1NFE2L2HTTGPBAR1
SCHEMBL4135426 0.90 NAMPT (0.36) TAS2R14NAMPTKEAP1NFE2L2PTGER2
SCHEMBL4119622 0.89 RIPK1 (0.36) RIPK1NAMPTMDM2HTTGPBAR1
SCHEMBL4566347 0.88 HTR2C (0.39) PTGER2HTTGPBAR1KAT5KAT8
SCHEMBL4126504 0.88 ALDH1A1 (0.39) RIPK1MDM2HTTNOTUMKDM4E
SCHEMBL4131429 0.88 KEAP1 (0.36) TAS2R14NAMPTKEAP1NFE2L2PTGER2
SCHEMBL4125804 0.88 NAMPT (0.36) TAS2R14NAMPTKEAP1NFE2L2PTGER2
SCHEMBL4566348 0.88 PTGER2 (0.33) TAS2R14RIPK1PTGER2HTT
SCHEMBL4131198 0.87 NAMPT (0.39) TAS2R14NAMPTPTGER2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 TAS2R14 329/4885RIPK1 4203/4885NAMPT 2129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.